Base information
| Cat. No. | |
| CAS No. | 80453-44-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H14O7 |
| Molecular Weight | 318.278 |
| Exact Mass | 318.074 |
| XLogP3 | 1.4893 |
| Mr | 79.2243 |
| PSA | 116.45 |
| Sequence | - |
| Atom number | 37 |
| Bond number | 39 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1cc2O[C@H](c3ccc(c(c3)O)O)[C@H](C(=O)c2c(c1)O)O |
